3LPP

crystal complex of n-terminal sucrase-isomaltase with kotalanol

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 101
  • Norm. En. per Res.: -1.8372
• Hub Node: A(3)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-6.5532	14.6046	-80.2672	-72.2158	72	5	0	3975	0	25	17
A-C	0.0	0.0	-13.7344	-13.7344	29	0	0	844	0	6	4
A-D	0.0	0.0	-0.0017	-0.0017	2	0	0	1	0	0	1
B-C	-4.5304	15.884	-196.91	-185.5564	101	2	0	7982	0	14	12
C-D	-8.556	12.3421	-8.8847	-5.0985	33	8	0	689	0	10	14

Interface residues

• A-B: ALA409A, ARG135B, ARG136B, ARG401A, ARG402A, ARG413A, ARG99B, ASN108B, ASN111B, ASN133B, ASN134B, ASN373A, ASN404A, ASN455A, ASN490B, ASN98B, ASP109B, ASP131B, ASP191B, ASP425B, ASP85B, GLN192B, GLN369A, GLN377A, GLN380A, GLN417A, GLN462A, GLN465A, GLN835A, GLN84B, GLU412A, GLU456A, GLU463A, GLY107B, GLY374A, GLY405A, HIS461A, ILE100B, ILE110B, ILE459A, LEU375A, LYS485B, LYS491B, LYS543A, LYS548A, LYS778A, LYS96B, PHE460A, PHE545A, PRO101B, PRO103B, PRO132B, PRO376A, PRO546A, SER102B, SER112B, SER190B, SER458A, THR104B, THR406A, THR407A, THR410A, THR416A, THR839A, TYR189B, TYR367A, TYR408A, VAL113B, VAL379A, VAL464A, VAL489B, VAL544A
• A-C: ALA56C, ARG28C, ARG63C, ASN32C, ASN547A, ASN810A, ASN812A, ASP806A, CYS30C, GLN809A, GLN835A, GLU52C, GLU836A, GLY53C, GLY811A, HIS831A, ILE808A, LEU34C, LYS29C, LYS548A, PRO31C, PRO546A, SER832A, SER833A, THR804A, THR807A, TRP62C, TYR834A, VAL33C
• A-D: ASN133A, LEU34D
• B-C: ARG58B, ARG58C, ARG63B, ARG63C, ASN488B, ASN488C, ASN490B, ASN490C, ASN493B, ASN493C, ASN66B, ASN66C, ASP236B, ASP236C, ASP503B, ASP503C, ASP67B, ASP67C, CYS487B, CYS487C, GLN481B, GLN481C, GLN48B, GLN48C, GLN57B, GLN57C, GLN715B, GLN715C, GLU47B, GLU47C, GLU52B, GLU52C, GLU611B, GLU611C, GLY482B, GLY482C, GLY486B, GLY486C, GLY53B, GLY53C, ILE45B, ILE45C, ILE480B, ILE480C, ILE501B, ILE501C, ILE54B, ILE54C, LEU34B, LEU502B, LEU502C, LEU505B, LEU505C, LEU69B, LEU69C, LYS485C, LYS504B, LYS504C, LYS509B, LYS509C, MET506B, MET506C, PHE106B, PHE106C, PHE497B, PHE497C, PHE49B, PHE49C, PRO495B, PRO495C, PRO496B, PRO496C, PRO50B, PRO50C, PRO64B, PRO64C, SER483B, SER483C, SER508B, SER508C, SER68B, SER68C, THR498B, THR498C, THR51B, THR51C, THR609B, THR609C, TRP576B, TRP62B, TRP62C, TRP65B, TRP65C, TRP72B, TRP72C, TYR494B, TYR494C, TYR507B, TYR507C, VAL489B, VAL489C
• C-D: ARG135C, ARG135D, ASN108D, ASN111D, ASN133C, ASN133D, ASN134C, ASN488D, ASN490D, ASN518C, ASP109D, ASP131C, ASP191D, ASP425C, ASP425D, GLN192D, GLU146C, GLU94C, GLY107D, GLY426C, LEU492D, LYS491C, LYS491D, LYS521C, LYS521D, PRO132C, PRO132D, SER424C, SER424D, THR104D, THR148C, VAL489D, VAL516C